N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide

C22H21NO3S — CID 102344906

IUPACN-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-11-14-19(15-12-17)27(25,26)23-21-10-6-5-9-20(21)22(24)16-13-18-7-3-2-4-8-18/h2-16,22-24H,1H3/b16-13+
InChIKeyBBUGTGHWQLOHPV-DTQAZKPQSA-N
MW379.48 g/mol
LogP4.54
Rot. Bonds6

About N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide

N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 102344906) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID102344906
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC NameN-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-11-14-19(15-12-17)27(25,26)23-21-10-6-5-9-20(21)22(24)16-13-18-7-3-2-4-8-18/h2-16,22-24H,1H3/b16-13+
InChIKeyBBUGTGHWQLOHPV-DTQAZKPQSA-N
XLogP4.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[chloro(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 172728368
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide
CID 71501621
(E,3S)-3-[(4-methylphenyl)sulfonylamino]-5-phenylpent-4-enoic acid
CID 101455223
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide
CID 11152440
N-[(E)-1-hydroxy-2-methyl-3-phenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 135033918
4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide
CID 54397689
4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide
CID 102233869
(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid
CID 141071550
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide (CID 102344906) is N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is BBUGTGHWQLOHPV-DTQAZKPQSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-17-11-14-19(15-12-17)27(25,26)23-21-10-6-5-9-20(21)22(24)16-13-18-7-3-2-4-8-18/h2-16,22-24H,1H3/b16-13+.
What are the key properties of N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide?
N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102344906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).